1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(butan-2-yl)-N-(3-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide
Chemical Structure Depiction of
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(butan-2-yl)-N-(3-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide
1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(butan-2-yl)-N-(3-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide
Compound characteristics
| Compound ID: | V026-0615 |
| Compound Name: | 1-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(butan-2-yl)-N-(3-chlorophenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carboxamide |
| Molecular Weight: | 499.01 |
| Molecular Formula: | C26 H31 Cl N4 O4 |
| Salt: | not_available |
| Smiles: | CCC(C)C1C(N(Cc2ccc3c(c2)OCO3)C2(CCN(CC2)C(Nc2cccc(c2)[Cl])=O)N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6515 |
| logD: | 4.411 |
| logSw: | -4.6855 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.15 |
| InChI Key: | OPBYHHHSVKHTDZ-UHFFFAOYSA-N |